1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

C19H19ClFN3O — CID 45273266

IUPAC1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1
InChIInChI=1S/C19H19ClFN3O/c20-16-9-17(21)11-18(10-16)24-8-7-23(19(24)25)6-5-22-12-14-3-1-2-4-15(14)13-22/h1-4,9-11H,5-8,12-13H2
InChIKeyDEPZVFJRGVKNJM-UHFFFAOYSA-N
MW359.83 g/mol
LogP3.74
Rot. Bonds4

About 1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (PubChem CID 45273266) has the molecular formula C19H19ClFN3O and a molecular weight of 359.83 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
PubChem CID45273266
Molecular FormulaC19H19ClFN3O
Molecular Weight359.83 g/mol
Exact Mass359.12
IUPAC Name1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1
InChIInChI=1S/C19H19ClFN3O/c20-16-9-17(21)11-18(10-16)24-8-7-23(19(24)25)6-5-22-12-14-3-1-2-4-15(14)13-22/h1-4,9-11H,5-8,12-13H2
InChIKeyDEPZVFJRGVKNJM-UHFFFAOYSA-N
XLogP3.74
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (CID 45273266) is 1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The InChIKey is DEPZVFJRGVKNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O/c20-16-9-17(21)11-18(10-16)24-8-7-23(19(24)25)6-5-22-12-14-3-1-2-4-15(14)13-22/h1-4,9-11H,5-8,12-13H2.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one has a molecular weight of 359.83 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45273266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).